CID 43332259

2-(benzylamino)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C17H14N2O2
SMILES
C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3C(=C2)C(=O)O
InChI
InChI=1S/C17H14N2O2/c20-17(21)14-10-16(18-11-12-6-2-1-3-7-12)19-15-9-5-4-8-13(14)15/h1-10H,11H2,(H,18,19)(H,20,21)
InChIKey
MWNFPIDJPGPAPF-UHFFFAOYSA-N
Compound name
2-(benzylamino)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.10553 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.112806 162.3
[M+Na]+ 301.094748 169.3
[M-H]- 277.098254 167.1
[M+NH4]+ 296.139353 176.4
[M+K]+ 317.068688 163.9
[M+H-H2O]+ 261.102790 153.4
[M+HCOO]- 323.103731 183.1
[M+CH3COO]- 337.119381 173.2
[M+Na-2H]- 299.080196 169.5
[M]+ 278.10498142 161.3
[M]- 278.10607858 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.